Biomolecular Modeling

Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS Webinar: MDBenchmark: a tedious task – made straightforward (2018-11-23) Webinar: More bang for your buck: Improved use of GPU Nodes for GROMACS 2018 (2019-09-05)

Webinar: What’s new in GROMACS 2020 (2020-02-20) Webinar: A walk through simulation parameter options (.mdp files) for GROMACS (2019-12-05) Webinar: Accelerating sampling in GROMACS with the AWH method (2019-09-24)   Webinar: Density guided simulations – combining cryo-EM data and molecular dynamics simulation (2020-04-28)

In September 2020 we have organized the online workshop Introduction to GROMACS - A SNIC/PRACE workshop in collaboration with BioExcel  Some lectures material is still available Introduction to MD using GROMACS - Alessandra Villa (KTH- Royal Institute of Technology - Sweden) - https://doi.org/10.5281/zenodo.4030405 Introduction to GROMACS parallelization and performance - https://doi.org/10.6084/m9.figshare.12912326.v2 Szilárd Pall (KTH- Royal Institute of Technology - Sweden

An introduction to Nucleic Acid Structure given to the doctoral course Nucleic Acid Chemistry and Therapy. See here:  10.5281/zenodo.4023070

First time I ever record a lecture. It was not easy.   Here the lecture part I and part II 

Localized Axolemma Deformations Suggest Mechanoporation as Axonal Injury Trigger Montanino A, Saeedimasine M, Villa A and Kleiven S  Front. Neurol. 11:25 (2020)